N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine

C16H31NOS — CID 79923117

IUPACN-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine
SMILESCCCC(CCC1CCOC2(CCSCC2)C1)NC
InChIInChI=1S/C16H31NOS/c1-3-4-15(17-2)6-5-14-7-10-18-16(13-14)8-11-19-12-9-16/h14-15,17H,3-13H2,1-2H3
InChIKeyWSUQPPJFNQFXOC-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.85
Rot. Bonds6

About N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine

N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine (PubChem CID 79923117) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine
PubChem CID79923117
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC NameN-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine
SMILESCCCC(CCC1CCOC2(CCSCC2)C1)NC
InChIInChI=1S/C16H31NOS/c1-3-4-15(17-2)6-5-14-7-10-18-16(13-14)8-11-19-12-9-16/h14-15,17H,3-13H2,1-2H3
InChIKeyWSUQPPJFNQFXOC-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine
CID 79923379
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine
CID 79922733
1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79907331
N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine
CID 79922985
2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine
CID 79914967
N-methyl-1-(oxan-4-yl)hexan-3-amine
CID 62386806
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79914536
N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914209
4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol
CID 79923999
2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79915212
4-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 105170822
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine?
The IUPAC name of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine (CID 79923117) is N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine.
What is the SMILES notation for N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine?
The canonical SMILES for N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine is CCCC(CCC1CCOC2(CCSCC2)C1)NC.
What is the InChIKey of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine?
The InChIKey is WSUQPPJFNQFXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-3-4-15(17-2)6-5-14-7-10-18-16(13-14)8-11-19-12-9-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine?
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine has a molecular weight of 285.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine is sourced from PubChem (CID 79923117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).